6 research outputs found
Container solutions for HPC Systems: A Case Study of Using Shifter on Blue Waters
- Publication venue
- 'Association for Computing Machinery (ACM)'
- Publication date
- 01/08/2018
- Field of study
Software container solutions have revolutionized application development
approaches by enabling lightweight platform abstractions within the so-called
"containers." Several solutions are being actively developed in attempts to
bring the benefits of containers to high-performance computing systems with
their stringent security demands on the one hand and fundamental resource
sharing requirements on the other.
In this paper, we discuss the benefits and short-comings of such solutions
when deployed on real HPC systems and applied to production scientific
applications.We highlight use cases that are either enabled by or significantly
benefit from such solutions. We discuss the efforts by HPC system
administrators and support staff to support users of these type of workloads on
HPC systems not initially designed with these workloads in mind focusing on
NCSA's Blue Waters system.Comment: 8 pages, 7 figures, in PEARC '18: Proceedings of Practice and
Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA,
US
A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture
- Author
- Publication venue
- Publication date
- 20/02/2024
- Field of study
Metal-organic frameworks (MOFs) exhibit great promise for CO2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks. Here, we introduce GHP-MOFassemble, a generative artificial intelligence (AI), high performance framework for the rational and accelerated design of MOFs with high CO2 adsorption capacity and synthesizable linkers. GHP-MOFassemble generates novel linkers, assembled with one of three pre-selected metal nodes (Cu paddlewheel, Zn paddlewheel, Zn tetramer) into MOFs in a primitive cubic topology. GHP-MOFassemble screens and validates AI-generated MOFs for uniqueness, synthesizability, structural validity, uses molecular dynamics simulations to study their stability and chemical consistency, and crystal graph neural networks and Grand Canonical Monte Carlo simulations to quantify their CO2 adsorption capacities. We present the top six AI-generated MOFs with CO2 capacities greater than 2m mol g−1, i.e., higher than 96.9% of structures in the hypothetical MOF dataset
First narrow-band search for continuous gravitational waves from known pulsars in advanced detector data
- Author
- Abbott Benjamin P.
- Abbott Rich
- Abbott Thomas D.
- Acernese Fausto
- Ackley Kendall
- Adams Carl
- Adams Thomas
- Addesso Paolo
- Adhikari Rana X.
- Adya Vaishali B.
- Affeldt Christoph
- Afrough Mohammad
- Agarwal Bhanu
- Agathos Michalis
- Agatsuma Kazuhiro
- Aggarwal Nancy
- Aguiar Odylio D.
- Aiello Lorenzo
- Ain Anirban
- Allen Bruce
- Allen Gabrielle
- Allocca Annalisa
- Altin Paul A.
- Amato Alex
- Ananyeva Alena
- Anderson Stuart B.
- Anderson Warren G.
- Angelova Svetoslava V.
- Antier Sarah
- Appert Stephen
- Arai Koji
- Araya Melody C.
- Areeda Joseph S.
- Arnaud Nicolas
- Arun Kg G.
- Ascenzi Stefano
- Ashton Gregory
- Ast M.
- Aston Stuart M.
- Astone Pia
- Atallah Dany V.
- Aufmuth Peter
- Aulbert Carsten
- Aultoneal K.
- Austin Corey
- Avila-Alvarez A.
- Babak Stanislav
- Bacon Philippe
- Bader Maria K.M.
- Bae Sangwook
- Baker Paul T.
- Baldaccini Francesca
- Ballardin Giulio
- Ballmer Stefan W.
- Banagiri Sharan
- Barayoga Juan C.
- Barclay Sheena E.
- Barish Barry C.
- Barker David
- Barkett Kevin
- Barone Fabrizio
- Barr Bryan
- Barsotti Lisa
- Barsuglia Matteo
- Barta Daniel
- Bartlett Jeffrey
- Bartos Imre
- Bassiri Riccardo
- Basti Andrea
- Batch James C.
- Bawaj Mateusz
- Bayley Joseph C.
- Bazzan Marco
- Beer Christian
- Bejger Michal
- Belahcene Imene
- Bell Angus S.
- Berger Beverly K.
- Bergmann Gerald
- Bero John J.
- Berry Christopher P.L.
- Bersanetti Diego
- Bertolini Alessandro
- Betzwieser Joseph
- Bhagwat Swetha
- Bhandare Rohan
- Bilenko Igor A.
- Billingsley Garilynn
- Billman Chris R.
- Birch Jeremy
- Birney Ross
- Birnholtz Ofek
- Biscans Sebastien
- Biscoveanu Sylvia
- Bisht Aparna
- Bitossi Massimiliano
- Biwer Christopher
- Bizouard Marieanne A.
- Blackburn J.K.
- Blackman Jonathan
- Blair Carl D.
- Blair David G.
- Blair Ryan M.
- Bloemen Steven
- Bock Oliver
- Bode Nina
- Boer Michel
- Bogaert Gilles
- Bohe Alejandro
- Bondu Francois
- Bonilla Edgard
- Bonnand Romain
- Boom Boris A.
- Bork Rolf
- Boschi Valerio
- Bose Sukanta
- Bossie Ken
- Bouffanais Yann
- Bozzi Antonella
- Bradaschia Carlo
- Brady Patrick R.
- Branchesi Marica
- Brau Jim E.
- Briant Tristan
- Brillet Alain
- Brinkmann Marc
- Brisson Violette
- Brockill Patrick
- Broida Jacob E.
- Brooks Aidan F.
- Brown Daniel D.
- Brown Duncan A.
- Brunett Sharon
- Buchanan Christopher C.
- Buikema Aaron
- Bulik Tomasz
- Bulten Henk J.
- Buonanno Alessandra
- Buskulic Damir
- Buy Christelle
- Byer Robert L.
- Bécsy Bence
- Cabero Miriam
- Cadonati Laura
- Cagnoli Giampietro
- Cahillane Craig
- Calderón Bustillo J.
- Callister Thomas A.
- Calloni Enrico
- Camp Jordan B.
- Canizares Priscilla
- Cannon Kipp C.
- Cao H.
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- Capano Collin D.
- Capocasa Eleonora
- Carbognani Franco
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- Carney Matthew F.
- Casanueva Diaz J.
- Casentini Claudio
- Caudill Sarah
- Cavaglià Marco
- Cavalier Fabien
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- Cella Giancarlo
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- Cerretani Giovanni
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- Chamberlin Sydney J.
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- Chatterjee Deep
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- Chia Hanyu
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- Christensen Nelson
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- Corban Paul
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- Creighton Jolien D.E.
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- Cullen Torrey J.
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- Gayathri V.
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- Genin Eric
- Gennai Alberto
- George Daniel
- George Jogy
- Gergely Laszlo
- Germain Vincent
- Ghonge Sudarshan
- Ghosh Abhirup
- Ghosh Archisman
- Ghosh Shaon
- Giaime Joe A.
- Giardina K.D.
- Giazotto Adalberto
- Gill Kiranjyot
- Glover Lamar
- Goetz Evan
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- Goncharov Boris
- Gonzalez Castro J.M.
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- Gopakumar A.
- Gorodetsky Michael L.
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- Gosselin Matthieu
- Gouaty Romain
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- Granata Massimo
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- Gretarsson Elizabeth M.
- Groot Paul
- Grote Hartmut
- Grunewald Steffen
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- Hild Stefan
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- Torrie Calum I.
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- Wang Jonathan Z.
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- Watchi Jennifer
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- Wei L.-W.
- Weinert Michael
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- Weiss Rainer
- Wen Linqing
- Wessel Erik K.
- Wessels Peter
- Westerweck Julian
- Westphal Tobias
- Wette Karl
- Whelan John T.
- Whiting Bernard F.
- Whittle Chris
- Wilken D.
- Williams Daniel
- Williams Roy D.
- Williamson Andrew R.
- Willis Joshua L.
- Willke Benno
- Wimmer Maximilian H.
- Winkler Walter
- Wipf Christopher C.
- Wittel Holger
- Woan Graham
- Woehler Janis
- Wofford Jared
- Wong K.W.K.
- Worden John
- Wright Jennifer L.
- Wu David S.
- Wysocki Daniel M.
- Xiao Sophia
- Yamamoto Hiro
- Yancey Cregg C.
- Yang Le
- Yap M.J.
- Yazback Maher
- Yu Hang
- Yu Haocun
- Yvert Michel
- Zadrożny Adam
- Zanolin Michele
- Zelenova Tatiana
- Zendri J.-P.
- Zevin Michael
- Zhang Liyuan
- Zhang Mi
- Zhang Teng
- Zhang Y.-H.
- Zhao Chunnong
- Zhou Minchuan
- Zhou Zifan
- Zhu Sylvia J.
- Zhu Xingjiang J.
- Zucker Michael E.
- Zweizig J.
- Publication venue
- 'American Physical Society (APS)'
- Publication date
- 01/01/2017
- Field of study
International audienceSpinning neutron stars asymmetric with respect to their rotation axis are potential sources of continuous gravitational waves for ground-based interferometric detectors. In the case of known pulsars a fully coherent search, based on matched filtering, which uses the position and rotational parameters obtained from electromagnetic observations, can be carried out. Matched filtering maximizes the signal-to-noise (SNR) ratio, but a large sensitivity loss is expected in case of even a very small mismatch between the assumed and the true signal parameters. For this reason, narrow-band analysis methods have been developed, allowing a fully coherent search for gravitational waves from known pulsars over a fraction of a hertz and several spin-down values. In this paper we describe a narrow-band search of 11 pulsars using data from Advanced LIGO’s first observing run. Although we have found several initial outliers, further studies show no significant evidence for the presence of a gravitational wave signal. Finally, we have placed upper limits on the signal strain amplitude lower than the spin-down limit for 5 of the 11 targets over the bands searched; in the case of J1813-1749 the spin-down limit has been beaten for the first time. For an additional 3 targets, the median upper limit across the search bands is below the spin-down limit. This is the most sensitive narrow-band search for continuous gravitational waves carried out so far
Search for intermediate mass black hole binaries in the first observing run of Advanced LIGO
- Author
- Abbott Benjamin P.
- Abbott Rich
- Abbott Thomas D.
- Acernese Fausto
- Ackley Kendall
- Adams Carl
- Adams Thomas
- Addesso Paolo
- Adhikari Rana X.
- Adya Vaishali B.
- Affeldt Christoph
- Afrough Mohammad
- Agarwal Bhanu
- Agatsuma Kazuhiro
- Aggarwal Nancy
- Aguiar Odylio D.
- Aiello Lorenzo
- Ain Anirban
- Allen Bruce
- Allen Gabrielle
- Allocca Annalisa
- Almoubayyed Husni
- Altin Paul A.
- Amato A.
- Ananyeva Alena
- Anderson Stuart B.
- Anderson Warren G.
- Antier Sarah
- Appert Stephen
- Arai Koji
- Araya Melody C.
- Areeda Joseph S.
- Arnaud Nicolas
- Arun Kg G.
- Ascenzi Stefano
- Ashton Gregory
- Ast M.
- Aston Stuart M.
- Astone Pia
- Aufmuth Peter
- Aulbert Carsten
- AultONeal K.
- Avila-Alvarez A.
- Babak Stanislav
- Bacon Philippe
- Bader Maria K.M.
- Bae Sangwook
- Baker Paul T.
- Baldaccini Francesca
- Ballardin Giulio
- Ballmer Stefan W.
- Banagiri Sharan
- Barayoga Juan C.
- Barclay Sheena E.
- Barish Barry C.
- Barker David
- Barone Fabrizio
- Barr Bryan
- Barsotti Lisa
- Barsuglia Matteo
- Barta Daniel
- Bartlett Jeffrey
- Bartos Imre
- Bassiri Riccardo
- Basti Andrea
- Batch James C.
- Baune Christoph
- Bawaj M.
- Bazzan Marco
- Beer Christian
- Bejger Michal
- Belahcene Imene
- Bell Angus S.
- Berger Beverly K.
- Bergmann Gerald
- Berry Christopher P.L.
- Bersanetti Diego
- Bertolini Alessandro
- Betzwieser Joseph
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- Bilenko Igor A.
- Billingsley Garilynn
- Billman Chris R.
- Birch Jeremy
- Birney Ross
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- Biscans Sebastien
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- Srivastava Amit K.
- Staley Alexan
- Steinke Michael
- Steinlechner Jessica
- Steinlechner Sebastian
- Steinmeyer Daniel
- Stephens Branson C.
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- van Heijningen J.V.
- van Veggel A.A.
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- Vecchio Alberto
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- Wade Leslie E.
- Wade Madeline
- Walet R.
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- Wallace Larry
- Walsh Sinead
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- Wang Haoyu
- Wang Jonathan Z.
- Wang Mengyao
- Wang Y.-F.
- Ward Robert L.
- Warner Jim
- Was Michal
- Watchi Jennifer
- Weaver Betsy
- Wei L.-W.
- Weinert Michael
- Weinstein Alan J.
- Weiss Rainer
- Wen Linqing
- Wessel Erik K.
- Westphal Tobias
- Wette Karl
- Weßels Peter
- Whelan John T.
- Whiting Bernard F.
- Whittle Chris
- Williams Daniel
- Williams Roy D.
- Williamson Andrew R.
- Willis Joshua L.
- Willke Benno
- Wimmer Maximilian H.
- Winkler Walter
- Wipf Christopher C.
- Wittel Holger
- Woan Graham
- Woehler Janis
- Wofford Jared
- Wong K.W.K.
- Worden John
- Wright Jennifer L.
- Wu David S.
- Wu Guimin
- Yam William
- Yamamoto Hiro
- Yancey Cregg C.
- Yap M.J.
- Yu Hang
- Yu Haocun
- Yvert Michel
- Zadrożny Adam
- Zanolin Michele
- Zelenova Tatiana
- Zendri J.-P.
- Zevin Michael
- Zhang Liyuan
- Zhang Mi
- Zhang Teng
- Zhang Y.-H.
- Zhao Chunnong
- Zhou Minchuan
- Zhou Zifan
- Zhu Xingjiang
- Zucker Michael E.
- Zweizig J.
- Publication venue
- 'American Physical Society (APS)'
- Publication date
- 01/01/2017
- Field of study
International audienceDuring their first observational run, the two Advanced LIGO detectors attained an unprecedented sensitivity, resulting in the first direct detections of gravitational-wave signals produced by stellar-mass binary black hole systems. This paper reports on an all-sky search for gravitational waves (GWs) from merging intermediate mass black hole binaries (IMBHBs). The combined results from two independent search techniques were used in this study: the first employs a matched-filter algorithm that uses a bank of filters covering the GW signal parameter space, while the second is a generic search for GW transients (bursts). No GWs from IMBHBs were detected; therefore, we constrain the rate of several classes of IMBHB mergers. The most stringent limit is obtained for black holes of individual mass 100 M⊙, with spins aligned with the binary orbital angular momentum. For such systems, the merger rate is constrained to be less than 0.93 Gpc−3 yr−1 in comoving units at the 90% confidence level, an improvement of nearly 2 orders of magnitude over previous upper limits
First low-frequency Einstein@Home all-sky search for continuous gravitational waves in Advanced LIGO data
- Author
- Abbott Benjamin P.
- Abbott Rich
- Abbott Thomas D.
- Acernese Fausto
- Ackley Kendall
- Adams Carl
- Adams Thomas
- Addesso Paolo
- Adhikari Rana X.
- Adya Vaishali B.
- Affeldt Christoph
- Afrough Mohammad
- Agarwal Bhanu
- Agathos Michalis
- Agatsuma Kazuhiro
- Aggarwal Nancy
- Aguiar Odylio D.
- Aiello Lorenzo
- Ain Anirban
- Allen Bruce
- Allen Gabrielle
- Allocca Annalisa
- Altin Paul A.
- Amato A.
- Ananyeva Alena
- Anderson D.P.
- Anderson Stuart B.
- Anderson Warren G.
- Antier Sarah
- Appert Stephen
- Arai Koji
- Araya Melody C.
- Areeda Joseph S.
- Arnaud Nicolas
- Ascenzi Stefano
- Ashton Gregory
- Ast M.
- Aston Stuart M.
- Astone Pia
- Aufmuth Peter
- Aulbert Carsten
- Aultoneal K.
- Avila-Alvarez A.
- Babak Stanislav
- Bacon Philippe
- Bader Maria K.M.
- Bae Sangwook
- Baker Paul T.
- Baldaccini Francesca
- Ballardin Giulio
- Ballmer Stefan W.
- Banagiri Sharan
- Barayoga Juan C.
- Barclay Sheena E.
- Barish Barry C.
- Barker David
- Barone Fabrizio
- Barr Bryan
- Barsotti Lisa
- Barsuglia Matteo
- Barta Daniel
- Bartlett Jeffrey
- Bartos Imre
- Bassiri Riccardo
- Basti Andrea
- Batch James C.
- Baune Christoph
- Bawaj M.
- Bazzan Marco
- Beer Christian
- Bejger Michal
- Belahcene Imene
- Bell Angus S.
- Berger Beverly K.
- Bergmann Gerald
- Berry Christopher P.L.
- Bersanetti Diego
- Bertolini Alessandro
- Betzwieser Joseph
- Bhagwat Swetha
- Bhandare Rohan
- Bilenko Igor A.
- Billingsley Garilynn
- Billman Chris R.
- Birch Jeremy
- Birney Ross
- Birnholtz Ofek
- Biscans Sebastien
- Bisht Aparna
- Bitossi Massimiliano
- Biwer Christopher
- Bizouard Marieanne A.
- Blackburn J.K.
- Blackman Jonathan
- Blair Carl D.
- Blair David G.
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- Bloemen Steven
- Bock Oliver
- Bode Nina
- Boer Michel
- Bogaert Gilles
- Bohe Alejandro
- Bondu Francois
- Bonnand Romain
- Boom Boris A.
- Bork Rolf
- Boschi Valerio
- Bose Sukanta
- Bouffanais Yann
- Bozzi Antonella
- Bradaschia Carlo
- Brady Patrick R.
- Braginsky Vladimir B.
- Branchesi Marica
- Brau Jim E.
- Briant Tristan
- Brillet Alain
- Brinkmann Marc
- Brisson Violette
- Brockill Patrick
- Broida Jacob E.
- Brooks Aidan F.
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- Brown Duncan A.
- Brown Nicolas M.
- Brunett Sharon
- Buchanan Christopher C.
- Buikema Aaron
- Bulik Tomasz
- Bulten Henk J.
- Buonanno Alessandra
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- Cabero Miriam
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- Cerretani Giovanni
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- Vecchio Alberto
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- Weiss Rainer
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- Wessels Peter
- Westphal Tobias
- Wette Karl
- Whelan John T.
- Whiting Bernard F.
- Whittle Chris
- Williams Daniel
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- Williamson Andrew R.
- Willis Joshua L.
- Willke Benno
- Wimmer Maximilian H.
- Winkler Walter
- Wipf Christopher C.
- Wittel Holger
- Woan Graham
- Woehler Janis
- Wofford Jared
- Wong K.W.K.
- Worden John
- Wright Jennifer L.
- Wu David S.
- Wu Guimin
- Yam William
- Yamamoto Hiro
- Yancey Cregg C.
- Yap M.J.
- Yu Hang
- Yu Haocun
- Yvert Michel
- Zadrożny Adam
- Zanolin Michele
- Zelenova Tatiana
- Zendri J.-P.
- Zevin Michael
- Zhang Liyuan
- Zhang Mi
- Zhang Teng
- Zhang Y.-H.
- Zhao Chunnong
- Zhou Minchuan
- Zhou Zifan
- Zhu Sylvia J.
- Zhu Xingjiang J.
- Zucker Michael E.
- Zweizig J.
- Publication venue
- 'American Physical Society (APS)'
- Publication date
- 01/01/2017
- Field of study
International audienceWe report results of a deep all-sky search for periodic gravitational waves from isolated neutron stars in data from the first Advanced LIGO observing run. This search investigates the low frequency range of Advanced LIGO data, between 20 and 100 Hz, much of which was not explored in initial LIGO. The search was made possible by the computing power provided by the volunteers of the Einstein@Home project. We find no significant signal candidate and set the most stringent upper limits to date on the amplitude of gravitational wave signals from the target population, corresponding to a sensitivity depth of 48.7 [1/Hz]. At the frequency of best strain sensitivity, near 100 Hz, we set 90% confidence upper limits of 1.8×10-25. At the low end of our frequency range, 20 Hz, we achieve upper limits of 3.9×10-24. At 55 Hz we can exclude sources with ellipticities greater than 10-5 within 100 pc of Earth with fiducial value of the principal moment of inertia of 1038 kg m2
Open data from the first and second observing runs of Advanced LIGO and Advanced Virgo
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- David E.
- Jo F. J.
- Karl
- Loic
- Marc
- Nathan A.
- Romain
- Shreya
- a R.
- a Pratap K.
- Abbott Rich
- Abbott Thomas D.
- Abraham Sheelu
- Acernese Fausto
- Ackley Kendall
- Adams Carl
- Adhikari Rana X.
- Adya Vaishali B.
- Affeldt Christoph
- Agathos Michalis
- Agatsuma Kazuhiro
- Aggarwal Nancy
- Aguiar Odylio D.
- Aich Amit
- Aiello Lorenzo
- Ain Anirban
- Allen Gabrielle
- Allocca Annalisa
- Altin Paul A.
- am Manasadevi P.
- Amato Alex
- An
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- Anderson Stuart B.
- Anderson Warren G.
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- Ansoldi Stefano
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- Ascenzi Stefano
- Ashton Gregory
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- Astone Pia
- Aubin Florian
- Aufmuth Peter
- AultONeal Kellie
- Austin Corey
- Avendano Valerie
- Babak Stanislav
- Bacon Philippe
- Badaracco Francesca
- Bader Maria K. M.
- Bae Sangwook
- Baer Anne M.
- Baird Jonathon
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- Zadrozny Adam
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- Zanolin Michele
- Zelenova Tatiana
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- Zevin Michael
- Zhang Jue
- Zhang Liyuan
- Zhang Teng
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- Zimmerman Aaron B.
- Zucker Michael E.
- Zweizig John
- Publication venue
- 'Elsevier BV'
- Publication date
- 25/12/2019
- Field of study
Advanced LIGO and Advanced Virgo are monitoring the sky and collecting gravitational-wave strain data with sufficient sensitivity to detect signals routinely. In this paper we describe the data recorded by these instruments during their first and second observing runs. The main data products are gravitational-wave strain time series sampled at 16384 Hz. The datasets that include this strain measurement can be freely accessed through the Gravitational Wave Open Science Center at http://gw-openscience.org, together with data-quality information essential for the analysis of LIGO and Virgo data, documentation, tutorials, and supporting software